N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide

C16H15IN2OS — CID 26163737

IUPACN-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2OS/c1-11-4-2-3-5-12(11)10-15(20)19-16(21)18-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyREKHBIGJVMWOFT-UHFFFAOYSA-N
MW410.28 g/mol
LogP3.66
Rot. Bonds3

About N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide

N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide (PubChem CID 26163737) has the molecular formula C16H15IN2OS and a molecular weight of 410.28 g/mol. Its IUPAC name is N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
PubChem CID26163737
Molecular FormulaC16H15IN2OS
Molecular Weight410.28 g/mol
Exact Mass409.99
IUPAC NameN-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1CC(=O)NC(=S)Nc1ccc(I)cc1
InChIInChI=1S/C16H15IN2OS/c1-11-4-2-3-5-12(11)10-15(20)19-16(21)18-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyREKHBIGJVMWOFT-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]propanamide
CID 26164125
N-tert-butyl-4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164162
4-tert-butyl-N-[4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164225
N-[[4-(3-methylbutoxy)phenyl]carbamothioyl]-2-(2-methylphenyl)acetamide
CID 26163959
2-(2-methylphenyl)-N-[(2,4,6-trimethylphenyl)carbamothioyl]acetamide
CID 26163745
N-[(2,6-dichlorophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide
CID 54786198
2-(2-methylphenyl)-N-[2-(2-methylphenyl)acetyl]acetamide
CID 140983476
2-methyl-N-[4-[(2-naphthalen-1-ylacetyl)carbamothioylamino]phenyl]propanamide
CID 17188042
4-[[2-(2-methylphenyl)acetyl]carbamothioylamino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28639647
N-ethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164210
N,N-diethyl-3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]benzamide
CID 26164133
4-tert-butyl-N-[3-[[2-(2-methylphenyl)acetyl]carbamothioylamino]phenyl]benzamide
CID 26164219

Frequently Asked Questions

What is the IUPAC name of N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The IUPAC name of N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide (CID 26163737) is N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide.
What is the SMILES notation for N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The canonical SMILES for N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)NC(=S)Nc1ccc(I)cc1.
What is the InChIKey of N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
The InChIKey is REKHBIGJVMWOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2OS/c1-11-4-2-3-5-12(11)10-15(20)19-16(21)18-14-8-6-13(17)7-9-14/h2-9H,10H2,1H3,(H2,18,19,20,21).
What are the key properties of N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide?
N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide has a molecular weight of 410.28 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-iodophenyl)carbamothioyl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 26163737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).